(3R)-3-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-N-(phenylmethyl)piperidine-1-carboxamide

Systemtic Name: (3R)-3-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-N-(phenylmethyl)piperidine-1-carboxamide Openeye Name: (3R)-3-[(1,3-benzodioxole-5-carbonylamino)methyl]-N-benzyl-piperidine-1-carboxamide CAS Name: (3R)-3-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]methyl]-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: (3R)-3-[(1,3-benzodioxole-5-carbonylamino)methyl]-N-benzylpiperidine-1-carboxamide Traditional Name: (3R)-N-benzyl-3-[(piperonyloylamino)methyl]piperidine-1-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c26-21(18-8-9-19-20(11-18)29-15-28-19)23-13-17-7-4-10-25(14-17)22(27)24-12-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,17H,4,7,10,12-15H2,(H,23,26)(H,24,27)/t17-/m1/s1